Methyl 4-hydroxy-2-(trifluoromethyl)benzoate - CAS 790695-49-7
Catalog: |
BB059551 |
Product Name: |
Methyl 4-hydroxy-2-(trifluoromethyl)benzoate |
CAS: |
790695-49-7 |
Synonyms: |
Methyl 4-hydroxy-2-(trifluoromethyl)benzoate |
IUPAC Name: | methyl 4-hydroxy-2-(trifluoromethyl)benzoate |
Description: | Methyl 4-hydroxy-2-(trifluoromethyl)benzoate |
Molecular Weight: | 220.15 |
Molecular Formula: | C9H7F3O3 |
Canonical SMILES: | COC(=O)C1=C(C=C(C=C1)O)C(F)(F)F |
InChI: | InChI=1S/C9H7F3O3/c1-15-8(14)6-3-2-5(13)4-7(6)9(10,11)12/h2-4,13H,1H3 |
InChI Key: | OLSWKTCQCZAEOW-UHFFFAOYSA-N |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.03472857 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.03472857 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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